CID 152692823

2376132-24-8

Structural Information

Molecular Formula
C14H28N4O2
SMILES
CCCCCCCCCN1C=C(N=N1)C(CO)(CO)N
InChI
InChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20/h10,19-20H,2-9,11-12,15H2,1H3
InChIKey
ZPXWKEHHIIOEAC-UHFFFAOYSA-N
Compound name
2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

284.22122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22850 172.3
[M+Na]+ 307.21044 176.8
[M-H]- 283.21394 167.9
[M+NH4]+ 302.25504 184.1
[M+K]+ 323.18438 173.0
[M+H-H2O]+ 267.21848 163.8
[M+HCOO]- 329.21942 188.2
[M+CH3COO]- 343.23507 199.4
[M+Na-2H]- 305.19589 174.1
[M]+ 284.22067 173.4
[M]- 284.22177 173.4
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.