CID 3009122

1-[[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1(OC[C@@H](O1)CN2C=NC=N2)C
InChI
InChI=1S/C8H13N3O2/c1-8(2)12-4-7(13-8)3-11-6-9-5-10-11/h5-7H,3-4H2,1-2H3/t7-/m0/s1
InChIKey
GQQFJKLMQVMFAT-ZETCQYMHSA-N
Compound name
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 135.8
[M+Na]+ 206.08999 144.6
[M-H]- 182.09349 139.9
[M+NH4]+ 201.13459 154.3
[M+K]+ 222.06393 146.1
[M+H-H2O]+ 166.09803 128.7
[M+HCOO]- 228.09897 155.4
[M+CH3COO]- 242.11462 149.4
[M+Na-2H]- 204.07544 141.2
[M]+ 183.10022 137.6
[M]- 183.10132 137.6
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.