CID 306092

1-morpholino-1-cycloheptene

Structural Information

Molecular Formula
C11H19NO
SMILES
C1CCC=C(CC1)N2CCOCC2
InChI
InChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h5H,1-4,6-10H2
InChIKey
HLVQJUUPEMTTIS-UHFFFAOYSA-N
Compound name
4-(cyclohepten-1-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

181.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 137.9
[M+Na]+ 204.13589 139.1
[M-H]- 180.13939 143.0
[M+NH4]+ 199.18049 153.1
[M+K]+ 220.10983 142.3
[M+H-H2O]+ 164.14393 130.6
[M+HCOO]- 226.14487 153.5
[M+CH3COO]- 240.16052 148.4
[M+Na-2H]- 202.12134 143.0
[M]+ 181.14612 128.4
[M]- 181.14722 128.4
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