CID 20426504

3-cyclopropylpropan-1-amine

Structural Information

Molecular Formula
C6H13N
SMILES
C1CC1CCCN
InChI
InChI=1S/C6H13N/c7-5-1-2-6-3-4-6/h6H,1-5,7H2
InChIKey
FESRYVBBESMTNR-UHFFFAOYSA-N
Compound name
3-cyclopropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

99.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 119.4
[M+Na]+ 122.09402 127.8
[M-H]- 98.097524 123.6
[M+NH4]+ 117.13862 137.4
[M+K]+ 138.06796 126.0
[M+H-H2O]+ 82.102060 113.7
[M+HCOO]- 144.10300 144.1
[M+CH3COO]- 158.11865 173.5
[M+Na-2H]- 120.07947 126.5
[M]+ 99.104251 120.2
[M]- 99.105349 120.2
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

patents stripe