CID 94557768

2307731-25-3

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC1[C@@H]2C[C@H]2CN
InChI
InChI=1S/C7H13N/c8-4-6-3-7(6)5-1-2-5/h5-7H,1-4,8H2/t6-,7-/m0/s1
InChIKey
BYYWMKYHSJUWJR-BQBZGAKWSA-N
Compound name
[(1R,2S)-2-cyclopropylcyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 130.5
[M+Na]+ 134.094018 138.2
[M-H]- 110.097524 137.6
[M+NH4]+ 129.138623 141.4
[M+K]+ 150.067958 136.6
[M+H-H2O]+ 94.102060 124.9
[M+HCOO]- 156.103001 151.9
[M+CH3COO]- 170.118651 186.5
[M+Na-2H]- 132.079466 134.8
[M]+ 111.10425142 132.2
[M]- 111.10534858 132.2
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.