CID 27824

16339-04-1

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCN(C(C)C)N=O

InChI

InChI=1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3

InChIKey

VGGZTNNNXAUZLB-UHFFFAOYSA-N

Compound name

N-ethyl-N-propan-2-ylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 87
Patents: 116.09496 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	117.102236	123.8
[M+Na]+	139.084178	130.3
[M-H]-	115.087684	127.2
[M+NH4]+	134.128783	147.2
[M+K]+	155.058118	133.0
[M+H-H2O]+	99.092220	118.3
[M+HCOO]-	161.093161	151.4
[M+CH3COO]-	175.108811	182.0
[M+Na-2H]-	137.069626	130.3
[M]+	116.09441142	126.3
[M]-	116.09550858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe