CID 9588748

139886-12-7

Structural Information

Molecular Formula
C10H14N2O
SMILES
CO/N=C/C1=CCCN(C1)CC#C
InChI
InChI=1S/C10H14N2O/c1-3-6-12-7-4-5-10(9-12)8-11-13-2/h1,5,8H,4,6-7,9H2,2H3/b11-8+
InChIKey
YUGULBDAWJCALT-DHZHZOJOSA-N
Compound name
(E)-N-methoxy-1-(1-prop-2-ynyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 136.6
[M+Na]+ 201.09983 144.8
[M-H]- 177.10333 137.9
[M+NH4]+ 196.14443 153.5
[M+K]+ 217.07377 142.0
[M+H-H2O]+ 161.10787 123.5
[M+HCOO]- 223.10881 153.8
[M+CH3COO]- 237.12446 192.8
[M+Na-2H]- 199.08528 141.7
[M]+ 178.11006 130.6
[M]- 178.11116 130.6
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

No patent data available for this compound.