CID 25324661

3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C2(CC1(C2)N)C(=O)O
InChI
InChI=1S/C6H9NO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3,7H2,(H,8,9)
InChIKey
KISLXTLDZXDHNN-UHFFFAOYSA-N
Compound name
3-aminobicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

127.06333 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 151.2
[M+Na]+ 150.05255 154.3
[M-H]- 126.05605 153.1
[M+NH4]+ 145.09715 157.5
[M+K]+ 166.02649 160.3
[M+H-H2O]+ 110.06059 138.0
[M+HCOO]- 172.06153 163.3
[M+CH3COO]- 186.07718 201.4
[M+Na-2H]- 148.03800 156.6
[M]+ 127.06278 173.5
[M]- 127.06388 173.5
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

patents stripe