CID 118545453

3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C2(CC1(C2)C(=O)O)CN
InChI
InChI=1S/C7H11NO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-4,8H2,(H,9,10)
InChIKey
OMSDZSWHARMRFI-UHFFFAOYSA-N
Compound name
3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.07898 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 155.2
[M+Na]+ 164.06820 158.0
[M-H]- 140.07170 157.0
[M+NH4]+ 159.11280 161.1
[M+K]+ 180.04214 163.8
[M+H-H2O]+ 124.07624 141.8
[M+HCOO]- 186.07718 167.0
[M+CH3COO]- 200.09283 203.6
[M+Na-2H]- 162.05365 160.2
[M]+ 141.07843 177.8
[M]- 141.07953 177.8
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