CID 10487549

N-cyclopropyl-2-nitroaniline

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC1NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c12-11(13)9-4-2-1-3-8(9)10-7-5-6-7/h1-4,7,10H,5-6H2
InChIKey
NPKZHUINIYQERL-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

178.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 127.9
[M+Na]+ 201.063448 136.1
[M-H]- 177.066954 135.7
[M+NH4]+ 196.108053 142.2
[M+K]+ 217.037388 129.3
[M+H-H2O]+ 161.071490 126.0
[M+HCOO]- 223.072431 155.2
[M+CH3COO]- 237.088081 180.5
[M+Na-2H]- 199.048896 137.6
[M]+ 178.07368142 127.6
[M]- 178.07477858 127.6
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