CID 24259149

1-[(4-methylphenyl)methyl]cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1=CC=C(C=C1)CC2(CCC2)N
InChI
InChI=1S/C12H17N/c1-10-3-5-11(6-4-10)9-12(13)7-2-8-12/h3-6H,2,7-9,13H2,1H3
InChIKey
ALEGKKWEMCJEJP-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.7
[M+Na]+ 198.125318 145.5
[M-H]- 174.128824 145.9
[M+NH4]+ 193.169923 155.0
[M+K]+ 214.099258 145.6
[M+H-H2O]+ 158.133360 129.0
[M+HCOO]- 220.134301 161.9
[M+CH3COO]- 234.149951 186.6
[M+Na-2H]- 196.110766 145.5
[M]+ 175.13555142 145.5
[M]- 175.13664858 145.5
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.