CID 15069616

2361852-29-9

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(COCC(=O)O)N
InChI
InChI=1S/C5H11NO3/c1-4(6)2-9-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
WFMIBUGHYJBYJX-UHFFFAOYSA-N
Compound name
2-(2-aminopropoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.7
[M+Na]+ 156.06312 133.8
[M-H]- 132.06662 126.2
[M+NH4]+ 151.10772 148.2
[M+K]+ 172.03706 134.2
[M+H-H2O]+ 116.07116 122.8
[M+HCOO]- 178.07210 149.6
[M+CH3COO]- 192.08775 172.5
[M+Na-2H]- 154.04857 131.2
[M]+ 133.07335 127.1
[M]- 133.07445 127.1
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