CID 10986245

165881-29-8

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C)(C)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H11NO2/c1-6(2,3)4-5-7(8)9/h4-5H,1-3H3/b5-4+
InChIKey
MAWMSYJASPQMOC-SNAWJCMRSA-N
Compound name
(E)-3,3-dimethyl-1-nitrobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

129.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.3
[M+Na]+ 152.068198 134.0
[M-H]- 128.071704 127.3
[M+NH4]+ 147.112803 148.3
[M+K]+ 168.042138 129.8
[M+H-H2O]+ 112.076240 127.5
[M+HCOO]- 174.077181 150.4
[M+CH3COO]- 188.092831 166.1
[M+Na-2H]- 150.053646 135.2
[M]+ 129.07843142 125.4
[M]- 129.07952858 125.4
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