CID 21404122

Butyl(nitroso)(propan-2-yl)amine

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCCCN(C(C)C)N=O
InChI
InChI=1S/C7H16N2O/c1-4-5-6-9(8-10)7(2)3/h7H,4-6H2,1-3H3
InChIKey
XMWTWTJPIUVQRR-UHFFFAOYSA-N
Compound name
N-butyl-N-propan-2-ylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 133.2
[M+Na]+ 167.115488 138.9
[M-H]- 143.118994 136.2
[M+NH4]+ 162.160093 155.5
[M+K]+ 183.089428 141.0
[M+H-H2O]+ 127.123530 127.3
[M+HCOO]- 189.124471 160.1
[M+CH3COO]- 203.140121 188.0
[M+Na-2H]- 165.100936 138.6
[M]+ 144.12572142 136.5
[M]- 144.12681858 136.5
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

patents stripe