CID 105427013

(3,6-dihydro-2h-pyran-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1COCC=C1CN
InChI
InChI=1S/C6H11NO/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2
InChIKey
QOQPLUHKCHMZSQ-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.08406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.8
[M+Na]+ 136.07328 127.6
[M-H]- 112.07678 125.2
[M+NH4]+ 131.11788 142.5
[M+K]+ 152.04722 127.9
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.08226 144.1
[M+CH3COO]- 172.09791 168.9
[M+Na-2H]- 134.05873 129.8
[M]+ 113.08351 118.0
[M]- 113.08461 118.0
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