CID 78508

Nsc 81216

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC=C(OC1)CN
InChI
InChI=1S/C6H11NO/c7-5-6-3-1-2-4-8-6/h3H,1-2,4-5,7H2
InChIKey
DVOBWGYOTJOCAJ-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.8
[M+Na]+ 136.073278 127.6
[M-H]- 112.076784 125.2
[M+NH4]+ 131.117883 142.5
[M+K]+ 152.047218 127.9
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.082261 144.1
[M+CH3COO]- 172.097911 168.9
[M+Na-2H]- 134.058726 129.8
[M]+ 113.08351142 118.0
[M]- 113.08460858 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