CID 51606505

3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1=NN=C2N1CCNC2
InChI
InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3
InChIKey
WRGHYZWPWNOJEF-UHFFFAOYSA-N
Compound name
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

169
Patents

138.09055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 129.6
[M+Na]+ 161.079768 138.3
[M-H]- 137.083274 127.1
[M+NH4]+ 156.124373 148.0
[M+K]+ 177.053708 135.6
[M+H-H2O]+ 121.087810 121.4
[M+HCOO]- 183.088751 146.1
[M+CH3COO]- 197.104401 141.6
[M+Na-2H]- 159.065216 136.2
[M]+ 138.09000142 125.7
[M]- 138.09109858 125.7
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