CID 118941202

(3-methylbicyclo[1.1.1]pentan-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
CC12CC(C1)(C2)CN
InChI
InChI=1S/C7H13N/c1-6-2-7(3-6,4-6)5-8/h2-5,8H2,1H3
InChIKey
YAVCPXDRMKSCTP-UHFFFAOYSA-N
Compound name
(3-methyl-1-bicyclo[1.1.1]pentanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

111.1048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 145.0
[M+Na]+ 134.09402 149.2
[M-H]- 110.09752 148.3
[M+NH4]+ 129.13862 153.0
[M+K]+ 150.06796 154.6
[M+H-H2O]+ 94.102060 132.4
[M+HCOO]- 156.10300 158.9
[M+CH3COO]- 170.11865 202.6
[M+Na-2H]- 132.07947 152.0
[M]+ 111.10425 168.1
[M]- 111.10535 168.1
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

patents stripe