CID 3250245

2-[(cyclopropylmethyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CC1CNCC(=O)O
InChI
InChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKey
JOWMUWBEMDOCKB-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

103
Patents

129.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 125.0
[M+Na]+ 152.06820 133.0
[M-H]- 128.07170 128.4
[M+NH4]+ 147.11280 141.2
[M+K]+ 168.04214 130.9
[M+H-H2O]+ 112.07624 119.4
[M+HCOO]- 174.07718 148.4
[M+CH3COO]- 188.09283 175.3
[M+Na-2H]- 150.05365 131.3
[M]+ 129.07843 126.5
[M]- 129.07953 126.5
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