CID 6278565

Schembl10998493

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC1N/C=C/C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)3-4-7-5-1-2-5/h3-5,7H,1-2H2,(H,8,9)/b4-3+
InChIKey
RMBZGFRPRFOSCD-ONEGZZNKSA-N
Compound name
(E)-3-(cyclopropylamino)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.06333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.4
[M+Na]+ 150.052548 132.8
[M-H]- 126.056054 127.8
[M+NH4]+ 145.097153 140.7
[M+K]+ 166.026488 130.0
[M+H-H2O]+ 110.060590 118.9
[M+HCOO]- 172.061531 148.0
[M+CH3COO]- 186.077181 173.8
[M+Na-2H]- 148.037996 130.7
[M]+ 127.06278142 125.1
[M]- 127.06387858 125.1
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