CID 94397817

1909287-91-7

Structural Information

Molecular Formula
C6H13N
SMILES
CC(C)[C@@H]1C[C@H]1N
InChI
InChI=1S/C6H13N/c1-4(2)5-3-6(5)7/h4-6H,3,7H2,1-2H3/t5-,6+/m0/s1
InChIKey
PAKOTDFUHRYXRU-NTSWFWBYSA-N
Compound name
(1R,2S)-2-propan-2-ylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 118.9
[M+Na]+ 122.09402 127.9
[M-H]- 98.097524 123.6
[M+NH4]+ 117.13862 137.2
[M+K]+ 138.06796 126.4
[M+H-H2O]+ 82.102060 113.6
[M+HCOO]- 144.10300 142.5
[M+CH3COO]- 158.11865 175.3
[M+Na-2H]- 120.07947 124.2
[M]+ 99.104251 119.4
[M]- 99.105349 119.4
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