CID 94557715

1899946-38-3

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C=C(C=N1)[C@@H]2C[C@H]2CN
InChI
InChI=1S/C8H13N3/c1-11-5-7(4-10-11)8-2-6(8)3-9/h4-6,8H,2-3,9H2,1H3/t6-,8+/m0/s1
InChIKey
KWOSURSYQZBUNY-POYBYMJQSA-N
Compound name
[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 134.8
[M+Na]+ 174.10017 145.6
[M-H]- 150.10367 139.8
[M+NH4]+ 169.14477 150.3
[M+K]+ 190.07411 141.7
[M+H-H2O]+ 134.10821 127.4
[M+HCOO]- 196.10915 158.6
[M+CH3COO]- 210.12480 182.0
[M+Na-2H]- 172.08562 139.3
[M]+ 151.11040 136.2
[M]- 151.11150 136.2
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.