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]+ 194.15395 145.9
[M+Na]+ 216.13589 153.4
[M-H]- 192.13939 151.9
[M+NH4]+ 211.18049 170.8
[M+K]+ 232.10983 151.9
[M+H-H2O]+ 176.14393 141.0
[M+HCOO]- 238.14487 169.7
[M+CH3COO]- 252.16052 191.8
[M+Na-2H]- 214.12134 146.5
[M]+ 193.14612 146.5
[M]- 193.14722 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.