CID 79451701

2031261-15-9

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C=C(C=N1)CC2CNC2
InChI
InChI=1S/C8H13N3/c1-11-6-8(5-10-11)2-7-3-9-4-7/h5-7,9H,2-4H2,1H3
InChIKey
WLLWODKOVNWSOV-UHFFFAOYSA-N
Compound name
4-(azetidin-3-ylmethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 130.6
[M+Na]+ 174.10017 137.3
[M-H]- 150.10367 131.8
[M+NH4]+ 169.14477 142.5
[M+K]+ 190.07411 137.7
[M+H-H2O]+ 134.10821 117.9
[M+HCOO]- 196.10915 149.1
[M+CH3COO]- 210.12480 176.9
[M+Na-2H]- 172.08562 135.2
[M]+ 151.11040 136.7
[M]- 151.11150 136.7
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.