CID 13829

N-nitrosodiisobutylamine

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC(C)CN(CC(C)C)N=O
InChI
InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
XLZCLFRMPCBSDI-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

61
Patents

158.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.8
[M+Na]+ 181.13112 146.0
[M+NH4]+ 176.17572 145.3
[M+K]+ 197.10506 141.6
[M-H]- 157.13462 138.5
[M+Na-2H]- 179.11657 141.3
[M]+ 158.14135 138.8
[M]- 158.14245 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe