CID 6278565

3-(cyclopropylamino)acrylic acid

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

2
Patents

127.06333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 124.4
[M+Na]+ 150.05255 132.8
[M-H]- 126.05605 127.8
[M+NH4]+ 145.09715 140.7
[M+K]+ 166.02649 130.0
[M+H-H2O]+ 110.06059 118.9
[M+HCOO]- 172.06153 148.0
[M+CH3COO]- 186.07718 173.8
[M+Na-2H]- 148.03800 130.7
[M]+ 127.06278 125.1
[M]- 127.06388 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