CID 414243

2-(propylamino)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
CCCNCC(=O)O
InChI
InChI=1S/C5H11NO2/c1-2-3-6-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKey
BHUGZIJOVAVBOQ-UHFFFAOYSA-N
Compound name
2-(propylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2071
Patents

117.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.1
[M+Na]+ 140.06820 130.4
[M-H]- 116.07170 123.1
[M+NH4]+ 135.11280 145.6
[M+K]+ 156.04214 130.2
[M+H-H2O]+ 100.07624 119.4
[M+HCOO]- 162.07718 147.3
[M+CH3COO]- 176.09283 170.1
[M+Na-2H]- 138.05365 130.0
[M]+ 117.07843 123.7
[M]- 117.07953 123.7
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