CID 3021229

2-((dimethylamino)methyl)-3-methyl-3,4,5,6-tetrahydro-1(2h)-pentalenone hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1C(C(=O)C2=C1CCC2)CN(C)C
InChI
InChI=1S/C12H19NO/c1-8-9-5-4-6-10(9)12(14)11(8)7-13(2)3/h8,11H,4-7H2,1-3H3
InChIKey
KTRLLXAJXAKGCH-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-methyl-3,4,5,6-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.9
[M+Na]+ 216.135888 153.4
[M-H]- 192.139394 151.9
[M+NH4]+ 211.180493 170.8
[M+K]+ 232.109828 151.9
[M+H-H2O]+ 176.143930 141.0
[M+HCOO]- 238.144871 169.7
[M+CH3COO]- 252.160521 191.8
[M+Na-2H]- 214.121336 146.5
[M]+ 193.14612142 146.6
[M]- 193.14721858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.