CID 54149

78205-29-5

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1CC(=NC1)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3O/c15-11(9-5-2-1-3-6-9)14-13-10-7-4-8-12-10/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChIKey
FRBGBWIKHGXGJC-UHFFFAOYSA-N
Compound name
N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.5
[M+Na]+ 226.09509 148.7
[M-H]- 202.09859 148.7
[M+NH4]+ 221.13969 161.9
[M+K]+ 242.06903 146.1
[M+H-H2O]+ 186.10313 135.3
[M+HCOO]- 248.10407 168.5
[M+CH3COO]- 262.11972 185.7
[M+Na-2H]- 224.08054 149.4
[M]+ 203.10532 139.8
[M]- 203.10642 139.8
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