CID 14872467

129027-64-1

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC(C)N1C=C(N=N1)C=O
InChI
InChI=1S/C6H9N3O/c1-5(2)9-3-6(4-10)7-8-9/h3-5H,1-2H3
InChIKey
KFEIXQJTNLBBLR-UHFFFAOYSA-N
Compound name
1-propan-2-yltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 128.4
[M+Na]+ 162.06377 139.8
[M+NH4]+ 157.10837 135.3
[M+K]+ 178.03771 136.9
[M-H]- 138.06727 127.4
[M+Na-2H]- 160.04922 133.5
[M]+ 139.07400 129.5
[M]- 139.07510 129.5
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