CID 965875

1-(cyclopropylmethyl)piperazine

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CC1CN2CCNCC2
InChI
InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey
IVLIBVDZIYFXBZ-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1286
Patents

140.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 137.6
[M+Na]+ 163.12057 144.0
[M-H]- 139.12407 139.9
[M+NH4]+ 158.16517 150.6
[M+K]+ 179.09451 141.0
[M+H-H2O]+ 123.12861 129.4
[M+HCOO]- 185.12955 154.7
[M+CH3COO]- 199.14520 174.5
[M+Na-2H]- 161.10602 142.8
[M]+ 140.13080 133.1
[M]- 140.13190 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe