CID 79770197

1514661-11-0

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CN1C=C(C=N1)NCCC(=O)O
InChI
InChI=1S/C7H11N3O2/c1-10-5-6(4-9-10)8-3-2-7(11)12/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKey
WGYZGVOXVOBBJF-UHFFFAOYSA-N
Compound name
3-[(1-methylpyrazol-4-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.08513 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.0
[M+Na]+ 192.07435 142.7
[M-H]- 168.07785 134.9
[M+NH4]+ 187.11895 153.6
[M+K]+ 208.04829 141.3
[M+H-H2O]+ 152.08239 127.9
[M+HCOO]- 214.08333 157.5
[M+CH3COO]- 228.09898 178.1
[M+Na-2H]- 190.05980 139.9
[M]+ 169.08458 135.1
[M]- 169.08568 135.1
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