CID 44827664

1-(2,2-diethylcyclopropyl)methanamine

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1(CC1CN)CC
InChI
InChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKey
ZNEANLRFEOLEAL-UHFFFAOYSA-N
Compound name
(2,2-diethylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 127.5
[M+Na]+ 150.125318 136.7
[M-H]- 126.128824 132.2
[M+NH4]+ 145.169923 146.7
[M+K]+ 166.099258 135.2
[M+H-H2O]+ 110.133360 123.1
[M+HCOO]- 172.134301 151.1
[M+CH3COO]- 186.149951 179.9
[M+Na-2H]- 148.110766 134.0
[M]+ 127.13555142 129.8
[M]- 127.13664858 129.8
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