CID 45183

2-chloro-2-nitro-3-nonanol

Structural Information

Molecular Formula
C9H18ClNO3
SMILES
CCCCCCC(C(C)([N+](=O)[O-])Cl)O
InChI
InChI=1S/C9H18ClNO3/c1-3-4-5-6-7-8(12)9(2,10)11(13)14/h8,12H,3-7H2,1-2H3
InChIKey
TVJDCJVCGXSILJ-UHFFFAOYSA-N
Compound name
2-chloro-2-nitrononan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09752 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10480 151.2
[M+Na]+ 246.08674 156.7
[M-H]- 222.09024 149.7
[M+NH4]+ 241.13134 169.1
[M+K]+ 262.06068 150.3
[M+H-H2O]+ 206.09478 152.5
[M+HCOO]- 268.09572 167.1
[M+CH3COO]- 282.11137 181.4
[M+Na-2H]- 244.07219 156.3
[M]+ 223.09697 152.8
[M]- 223.09807 152.8
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

No patent data available for this compound.