CID 5354076

Nzo785t1sg

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)C/C(=N/O)/C
InChI
InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChIKey
ZKALVNREMFLWAN-VOTSOKGWSA-N
Compound name
(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4310
Patents

115.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.7
[M+Na]+ 138.08894 132.0
[M-H]- 114.09244 126.2
[M+NH4]+ 133.13354 148.2
[M+K]+ 154.06288 132.5
[M+H-H2O]+ 98.096980 121.1
[M+HCOO]- 160.09792 149.0
[M+CH3COO]- 174.11357 174.0
[M+Na-2H]- 136.07439 130.4
[M]+ 115.09917 125.5
[M]- 115.10027 125.5
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