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

125
Patents

178.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 127.9
[M+Na]+ 201.06345 136.1
[M-H]- 177.06695 135.7
[M+NH4]+ 196.10805 142.2
[M+K]+ 217.03739 129.3
[M+H-H2O]+ 161.07149 126.0
[M+HCOO]- 223.07243 155.2
[M+CH3COO]- 237.08808 180.5
[M+Na-2H]- 199.04890 137.6
[M]+ 178.07368 127.6
[M]- 178.07478 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