CID 11311327

133081-25-1

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKey
DBNGJNCAXKNLLQ-UHFFFAOYSA-N
Compound name
6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

200
Patents

253.10626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 156.0
[M+Na]+ 276.09548 161.6
[M-H]- 252.09898 157.2
[M+NH4]+ 271.14008 170.4
[M+K]+ 292.06942 160.7
[M+H-H2O]+ 236.10352 148.9
[M+HCOO]- 298.10446 176.9
[M+CH3COO]- 312.12011 195.4
[M+Na-2H]- 274.08093 161.2
[M]+ 253.10571 156.4
[M]- 253.10681 156.4
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