CID 9570826

Heptopargil

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1(C2CCC1(/C(=N\OCC#C)/C2)C)C
InChI
InChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h1,10H,6-9H2,2-4H3/b14-11-
InChIKey
RYOCQKYEVIJALB-KAMYIIQDSA-N
Compound name
(Z)-1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]heptan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.8
[M+Na]+ 228.135888 160.8
[M-H]- 204.139394 152.1
[M+NH4]+ 223.180493 174.8
[M+K]+ 244.109828 153.2
[M+H-H2O]+ 188.143930 139.2
[M+HCOO]- 250.144871 166.3
[M+CH3COO]- 264.160521 198.4
[M+Na-2H]- 226.121336 152.6
[M]+ 205.14612142 145.3
[M]- 205.14721858 145.3
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