CID 20348476

1-cyclopropyl-1,4-diazepane

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CNCCN(C1)C2CC2
InChI
InChI=1S/C8H16N2/c1-4-9-5-7-10(6-1)8-2-3-8/h8-9H,1-7H2
InChIKey
KZZRCKSXKSHUSD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

140.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 128.7
[M+Na]+ 163.12057 133.0
[M-H]- 139.12407 132.0
[M+NH4]+ 158.16517 140.6
[M+K]+ 179.09451 134.3
[M+H-H2O]+ 123.12861 120.4
[M+HCOO]- 185.12955 145.3
[M+CH3COO]- 199.14520 139.2
[M+Na-2H]- 161.10602 134.0
[M]+ 140.13080 121.4
[M]- 140.13190 121.4
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