CID 10702425

N-benzyl-n-nitrosocyclopropanamine

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC1N(CC2=CC=CC=C2)N=O
InChI
InChI=1S/C10H12N2O/c13-11-12(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
DIADEYURNVUSGN-UHFFFAOYSA-N
Compound name
N-benzyl-N-cyclopropylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.9
[M+Na]+ 199.08418 143.9
[M-H]- 175.08768 146.0
[M+NH4]+ 194.12878 151.6
[M+K]+ 215.05812 142.7
[M+H-H2O]+ 159.09222 128.2
[M+HCOO]- 221.09316 165.0
[M+CH3COO]- 235.10881 192.7
[M+Na-2H]- 197.06963 144.3
[M]+ 176.09441 139.5
[M]- 176.09551 139.5
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

No patent data available for this compound.