CID 66489696

{5h,6h,7h-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC2=NN=C(N2C1)CO
InChI
InChI=1S/C6H9N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h10H,1-4H2
InChIKey
SMLUMNDDAXMDJJ-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.07455 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.4
[M+Na]+ 162.063768 136.8
[M-H]- 138.067274 126.9
[M+NH4]+ 157.108373 149.0
[M+K]+ 178.037708 135.2
[M+H-H2O]+ 122.071810 120.4
[M+HCOO]- 184.072751 147.7
[M+CH3COO]- 198.088401 140.8
[M+Na-2H]- 160.049216 132.6
[M]+ 139.07400142 126.6
[M]- 139.07509858 126.6
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

patents stripe