CID 130124782

3-[benzyl(nitroso)amino]propan-1-ol

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1=CC=C(C=C1)CN(CCCO)N=O
InChI
InChI=1S/C10H14N2O2/c13-8-4-7-12(11-14)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey
DQHMLICULHVJAV-UHFFFAOYSA-N
Compound name
N-benzyl-N-(3-hydroxypropyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 141.4
[M+Na]+ 217.09475 146.9
[M-H]- 193.09825 146.0
[M+NH4]+ 212.13935 160.6
[M+K]+ 233.06869 146.5
[M+H-H2O]+ 177.10279 134.1
[M+HCOO]- 239.10373 168.8
[M+CH3COO]- 253.11938 190.8
[M+Na-2H]- 215.08020 148.9
[M]+ 194.10498 143.5
[M]- 194.10608 143.5
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.