CID 3017652

Benzenamine, n-(1,4-dimethylpentyl)-4-nitroso-

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C)CCC(C)NC1=CC=C(C=C1)N=O
InChI
InChI=1S/C13H20N2O/c1-10(2)4-5-11(3)14-12-6-8-13(15-16)9-7-12/h6-11,14H,4-5H2,1-3H3
InChIKey
NRGBRLBYBMBIAR-UHFFFAOYSA-N
Compound name
N-(5-methylhexan-2-yl)-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

220.15756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.9
[M+Na]+ 243.146778 157.9
[M-H]- 219.150284 157.5
[M+NH4]+ 238.191383 171.4
[M+K]+ 259.120718 156.7
[M+H-H2O]+ 203.154820 145.6
[M+HCOO]- 265.155761 178.0
[M+CH3COO]- 279.171411 199.8
[M+Na-2H]- 241.132226 156.7
[M]+ 220.15701142 154.4
[M]- 220.15810858 154.4
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