CID 62386259

4-(tetrahydro-2h-pyran-4-yl)butan-2-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(CCC1CCOCC1)N
InChI
InChI=1S/C9H19NO/c1-8(10)2-3-9-4-6-11-7-5-9/h8-9H,2-7,10H2,1H3
InChIKey
SMMQPXQCPWNBCA-UHFFFAOYSA-N
Compound name
4-(oxan-4-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.5
[M+Na]+ 180.13589 141.7
[M-H]- 156.13939 141.0
[M+NH4]+ 175.18049 157.3
[M+K]+ 196.10983 141.9
[M+H-H2O]+ 140.14393 132.4
[M+HCOO]- 202.14487 157.3
[M+CH3COO]- 216.16052 179.4
[M+Na-2H]- 178.12134 142.6
[M]+ 157.14612 133.7
[M]- 157.14722 133.7
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