CID 51227

Mambna

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)CCN(C(C)C(=O)C)N=O
InChI
InChI=1S/C9H18N2O2/c1-7(2)5-6-11(10-13)8(3)9(4)12/h7-8H,5-6H2,1-4H3
InChIKey
SJEKZTPKCBODER-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)-N-(3-oxobutan-2-yl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

186.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.5
[M+Na]+ 209.12605 149.2
[M-H]- 185.12955 147.3
[M+NH4]+ 204.17065 164.8
[M+K]+ 225.09999 151.6
[M+H-H2O]+ 169.13409 138.3
[M+HCOO]- 231.13503 169.2
[M+CH3COO]- 245.15068 196.9
[M+Na-2H]- 207.11150 146.4
[M]+ 186.13628 148.0
[M]- 186.13738 148.0
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