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

124
Patents

127.06333 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 151.2
[M+Na]+ 150.052548 154.3
[M-H]- 126.056054 153.1
[M+NH4]+ 145.097153 157.5
[M+K]+ 166.026488 160.3
[M+H-H2O]+ 110.060590 138.0
[M+HCOO]- 172.061531 163.3
[M+CH3COO]- 186.077181 201.4
[M+Na-2H]- 148.037996 156.6
[M]+ 127.06278142 173.5
[M]- 127.06387858 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