CID 546882

4-ethylamino-1-butanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCNCCCCO
InChI
InChI=1S/C6H15NO/c1-2-7-5-3-4-6-8/h7-8H,2-6H2,1H3
InChIKey
PVNNOLUAMRODAC-UHFFFAOYSA-N
Compound name
4-(ethylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

873
Patents

117.115364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 126.5
[M+Na]+ 140.104582 132.4
[M-H]- 116.108088 125.3
[M+NH4]+ 135.149187 148.3
[M+K]+ 156.078522 131.7
[M+H-H2O]+ 100.112624 121.8
[M+HCOO]- 162.113565 150.0
[M+CH3COO]- 176.129215 171.3
[M+Na-2H]- 138.090030 133.3
[M]+ 117.11481542 126.5
[M]- 117.11591258 126.5
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