CID 44236867

1232136-97-8

Structural Information

Molecular Formula
C8H13N3
SMILES
CNCC1=CC(=NN1)C2CC2
InChI
InChI=1S/C8H13N3/c1-9-5-7-4-8(11-10-7)6-2-3-6/h4,6,9H,2-3,5H2,1H3,(H,10,11)
InChIKey
DLFXPNWNGBVXPJ-UHFFFAOYSA-N
Compound name
1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.9
[M+Na]+ 174.10017 143.4
[M-H]- 150.10367 137.7
[M+NH4]+ 169.14477 148.6
[M+K]+ 190.07411 139.1
[M+H-H2O]+ 134.10821 126.4
[M+HCOO]- 196.10915 157.0
[M+CH3COO]- 210.12480 179.1
[M+Na-2H]- 172.08562 139.7
[M]+ 151.11040 134.1
[M]- 151.11150 134.1
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