CID 64917627

2-amino-2-cyclopropylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCC(C1CC1)(C(=O)O)N
InChI
InChI=1S/C7H13NO2/c1-2-7(8,6(9)10)5-3-4-5/h5H,2-4,8H2,1H3,(H,9,10)
InChIKey
WQMWQPSZTDYVNB-UHFFFAOYSA-N
Compound name
2-amino-2-cyclopropylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

143.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.5
[M+Na]+ 166.08386 136.5
[M-H]- 142.08736 131.5
[M+NH4]+ 161.12846 144.1
[M+K]+ 182.05780 134.2
[M+H-H2O]+ 126.09190 123.6
[M+HCOO]- 188.09284 149.5
[M+CH3COO]- 202.10849 177.9
[M+Na-2H]- 164.06931 134.0
[M]+ 143.09409 129.0
[M]- 143.09519 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe