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

11
Patents

141.07898 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 155.2
[M+Na]+ 164.068198 158.0
[M-H]- 140.071704 157.0
[M+NH4]+ 159.112803 161.1
[M+K]+ 180.042138 163.8
[M+H-H2O]+ 124.076240 141.8
[M+HCOO]- 186.077181 167.0
[M+CH3COO]- 200.092831 203.6
[M+Na-2H]- 162.053646 160.2
[M]+ 141.07843142 177.8
[M]- 141.07952858 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