CID 13542

N-nitrosodibutylamine

Structural Information

Molecular Formula
C8H18N2O
SMILES
CCCCN(CCCC)N=O
InChI
InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
InChIKey
YGJHZCLPZAZIHH-UHFFFAOYSA-N
Compound name
N,N-dibutylnitrous amide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

128
References

825
Patents

158.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.2
[M+Na]+ 181.13112 142.6
[M-H]- 157.13462 139.9
[M+NH4]+ 176.17572 158.9
[M+K]+ 197.10506 144.0
[M+H-H2O]+ 141.13916 130.9
[M+HCOO]- 203.14010 164.7
[M+CH3COO]- 217.15575 190.3
[M+Na-2H]- 179.11657 143.3
[M]+ 158.14135 141.5
[M]- 158.14245 141.5
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.