CID 3985879

1-cyclopropylpropan-1-amine

Structural Information

Molecular Formula
C6H13N
SMILES
CCC(C1CC1)N
InChI
InChI=1S/C6H13N/c1-2-6(7)5-3-4-5/h5-6H,2-4,7H2,1H3
InChIKey
OXXSMQHKMPTBAR-UHFFFAOYSA-N
Compound name
1-cyclopropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

99.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 119.4
[M+Na]+ 122.094018 127.6
[M-H]- 98.097524 123.7
[M+NH4]+ 117.138623 137.4
[M+K]+ 138.067958 126.1
[M+H-H2O]+ 82.102060 113.8
[M+HCOO]- 144.103001 143.1
[M+CH3COO]- 158.118651 174.3
[M+Na-2H]- 120.079466 125.3
[M]+ 99.10425142 119.5
[M]- 99.10534858 119.5
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